Data quality metrics extracted from 1vr4.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "51062c1d3bc847c8ef1f1aaaea818eb9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.94,
    "b": 53.56,
    "c": 53.48,
    "alpha": 65.88,
    "beta": 70.37,
    "gamma": 70.88
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.09],
    "number_observations_unique": 26115,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.109
      },
      {
        "type": "I/SigI",
        "value": 12.4
      },
      {
        "type": "Completeness",
        "value": 92.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.09],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.27
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 73.0
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):